Butyl Formate

HCID 11614CAS 592-84-7

기본 정보

표준 SMILES
CCCCOC=O
InChIKey
NMJJFJNHVMGPGM-UHFFFAOYSA-N
분자식
C5H10O2
평균 분자량
102.13 g/mol
단동위원소 질량
102.06807956

이름 및 식별자

우선 이름
Butyl Formate
IUPAC
butyl formate
영어명
n-Butyl formate
분자식
C5H10O2
분자량
102.1317

이름 및 동의어

BUTYL FORMATEn-Butyl formateFormic acid, butyl estern-Butyl methanoateFEMA No. 2196Butylester kyseliny mravenciUNII-0Y9MZ7VM9PNSC 6969Butylester kyseliny mravenci [Czech]EINECS 209-772-5HCOO(CH2)3CH30Y9MZ7VM9P
이름 더 보기
UN1128BRN 1742108AI3-25265FEMA 2916NSC-6969BUTYL FORMATE [FHFI]DTXSID2060468CHEBI:88514

데이터베이스 식별자

CAS
592-84-7
PubChem CID
11614
DTXSID
DTXSID2060468
ChEMBL
CHEMBL2270394
ChEBI
CHEBI:88514
UNII
0Y9MZ7VM9P
EC Number
209-772-5
Nikkaji
J1.648I

물성

구조 계산 물성

XLogP
1.4
극성 표면적
26.3 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
4
무거운 원자 수
7

실험 및 물리화학적 성질

LogP1.32
Density · 4건

0.885 to 0.9108 (USCG, 1999)

Relative density (water = 1): 0.92

0.877-0.903

0.911 @25 °C

Solubility · 4건

7.56 mg/mL at 27 °C

Solubility in water, g/100ml at 27 °C: 0.75 (poor)

miscible with alcohol, ether, most organic solvents; slightly soluble inwater

(in ethanol)

Flash Point · 2건

64 °F (USCG, 1999)

18 °C c.c.

Boiling Point · 5건

224.6 °F at 760 mmHg (USCG, 1999)

106.10 °C. @ 760.00 mm Hg

106 °C

106.8 °C

106 °C @760 [mm Hg]

Melting Point · 4건

-130 °F (USCG, 1999)

-91.5 °C

-90 °C

-90 °C

안전 및 규제

GHS 분류

GHS Classification · 6건

Danger

H225: Highly Flammable liquid and vapor [Danger Flammable liquids];H319: Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335: May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P261, P264+P265, P271, P280, P303+P361+P353, P304+P340, P305+P351+P338, P319, P337+P317, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

This chemical does not meet GHS hazard criteria for 0.7% (11 of 1599) of reports.

유해성 정보

Regulatory Information · 3건

Chemical: Formic acid, butyl ester

Butyl formate: Does not have an individual approval but may be used under an appropriate group standard

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

Other Safety InformationIMAP assessments - Formic acid, butyl ester: Environment tier I assessment;IMAP assessments - Formic acid, butyl ester: Human health tier I assessment
DOT LabelFlammable Liquid
Fire Hazards · 3건

Special Hazards of Combustion Products: Irritating vapors and toxic gases, such as carbon dioxide and carbon monoxide, may be formed when involved in fire.;Behavior in Fire: Vapors can flow along surfaces to distant ignition source and flash back. (USCG, 1999)

· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.;· Vapors may form explosive mixtures with air.;· Vapors may travel to source of ignition and flash back.;· Most vapors are heavier than air. They will spread along the ground and collect in low or confined areas (sewers, basements, tanks, etc.).;· Vapor explosion hazard indoors, outdoors or in sewers.;· Those substances designated with a (P) may polymerize explosively when heated or involved in a fire.;· Runoff to sewer may create fire or explosion hazard.;· Containers may explode when heated.;· Many liquids will float on water.

Highly flammable. Vapour/air mixtures are explosive. Heating will cause rise in pressure with risk of bursting. Risk of fire and explosion on contact with strong oxidants.

Health Hazards · 2건

Exposure can cause irritation of eyes, nose and throat. High concentrations have a narcotic effect. (USCG, 1999)

· May cause toxic effects if inhaled or absorbed through skin.;· Inhalation or contact with material may irritate or burn skin and eyes.;· Fire will produce irritating, corrosive and/or toxic gases.;· Vapors may cause dizziness or asphyxiation, especially when in closed or confined areas.;· Runoff from fire control or dilution water may cause environmental contamination.

Hazards Summary · 1건

Readily forms explosive mixtures with air; An eye and respiratory tract irritant; May cause CNS effects; [ICSC] May cause smarting and reddening of skin if spilled and allowed to remain on clothes; High vapor concentrations may cause mild smarting of eyes and respiratory system and have a narcotic effect; [CHRIS] Acute inhalation of 10,418 ppm in humans causes eye irritation, muscle contraction or spasticity, and lung changes; [RTECS] Safe when used as a flavoring agent in food; [JECFA] An eye and respiratory tract irritant; [Alfa Aesar MSDS]

안전 및 보호

Fire Fighting · 2건

Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:;CAUTION: The majority of these products have a very low flash point. Use of water spray when fighting fire may be inefficient.;SMALL FIRE: Dry chemical, CO2, water spray or alcohol-resistant foam. Do not use dry chemical extinguishers to control fires involving nitromethane (UN1261) or nitroethane (UN2842).;LARGE FIRE: Water spray, fog or alcohol-resistant foam. Avoid aiming straight or solid streams directly onto the product. If it can be done safely, move undamaged containers away from the area around the fire.;FIRE INVOLVING TANKS, RAIL TANK CARS OR HIGHWAY TANKS: Fight fire from maximum distance or use unmanned master stream devices or monitor nozzles. Cool containers with flooding quantities of water until well after fire is out. Withdraw immediately in case of rising sound from venting safety devices or discoloration of tank. ALWAYS stay away from tanks in direct contact with flames. For massive fire, use unmanned master stream devices or monitor nozzles; if this is impossible, withdraw from area and let fire burn. (ERG, 2024)

Use powder, alcohol-resistant foam, water spray, carbon dioxide. In case of fire: keep drums, etc., cool by spraying with water.

First Aid Measures · 4건

Fresh air, rest. Refer for medical attention.

Remove contaminated clothes. Rinse and then wash skin with water and soap.

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

Rinse mouth. Do NOT induce vomiting. Refer for medical attention .

Accidental Release Measures · 2건

· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.;· Keep unauthorized personnel away.;· Stay upwind, uphill and/or upstream.;· Ventilate closed spaces before entering, but only if properly trained and equipped.

· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.;· All equipment used when handling the product must be grounded.;· Do not touch or walk through spilled material.;· Stop leak if you can do it without risk.;· Prevent entry into waterways, sewers, basements or confined areas.;· A vapor-suppressing foam may be used to reduce vapors.;· Absorb or cover with dry earth, sand or other non-combustible material and transfer to containers.;· Use clean, non-sparking tools to collect absorbed material.;Large Spill;· Dike far ahead of liquid spill for later disposal.;· Water spray may reduce vapor, but may not prevent ignition in closed spaces.

First Aid · 2건

Get medical attention.;INHALATION: Remove to fresh air. If breathing has stopped, give artificial respiration. If breathing is difficult, give oxygen.;EYES: Flush with water for at least 15 min., lifting lids occasionally.;SKIN: Remove contaminated clothing and shoes. Wash with soap and water. (USCG, 1999)

General First Aid:;· Call 911 or emergency medical service.;· Ensure that medical personnel are aware of the material(s) involved, take precautions to protect themselves and avoid contamination.;· Move victim to fresh air if it can be done safely.;· Administer oxygen if breathing is difficult.;· If victim is not breathing:;-- DO NOT perform mouth-to-mouth resuscitation; the victim may have ingested or inhaled the substance.;-- If equipped and pulse detected, wash face and mouth, then give artificial respiration using a proper respiratory medical device (bag-valve mask, pocket mask equipped with a one-way valve or other device).;-- If no pulse detected or no respiratory medical device available, provide continuous compressions. Conduct a pulse check every two minutes or monitor for any signs of spontaneous respirations.;· Remove and isolate contaminated clothing and shoes.;· For minor skin contact, avoid spreading material on unaffected skin.;· In case of contact with substance, remove immediately by flushing skin or eyes with running water for at least 20 minutes.;· For severe burns, immediate medical attention is required.;· Effects of exposure (inhalation, ingestion, or skin contact) to substance may be delayed.;· Keep victim calm and warm.;· Keep victim under observation.;· For further assistance, contact your local Poison Control Center.;· Note: Basic Life Support (BLS) and Advanced Life Support (ALS) should be done by trained professionals.;Specific First Aid:;· Wash skin with soap and water.

Safe StorageFireproof. Separated from strong oxidants.
Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).;· Structural firefighters' protective clothing provides thermal protection but only limited chemical protection.

독성 정보

Adverse EffectsNeurotoxin - Acute solvent syndrome
Exposure RoutesThe substance can be absorbed into the body by inhalation and by ingestion.
Signs and Symptoms · 4건

Cough. Shortness of breath. Headache. Drowsiness.

Redness.

Redness. Pain.

Sore throat. Further see Inhalation.

Toxicity DataLCLo (cat) = 10,418 ppm/70min

규제 정보

Regulatory Information · 3건

Chemical: Formic acid, butyl ester

Butyl formate: Does not have an individual approval but may be used under an appropriate group standard

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

안전 데이터

신호 어
Danger
유해·위험 문구
암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H225

화학 및 산업

약리 정보

Cellular LocationsCytoplasm;Extracellular

용도 및 제조

UsesUsed as flavoring agent or adjuvant; [FDA]
Use Classification · 3건

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

General Manufacturing InformationFormic acid, butyl ester: ACTIVE

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北成丰化工有限公司13125175253 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]

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